O-[1-(4-bromophenyl)ethyl]hydroxylamine

C8H10BrNO — CID 82024183

IUPACO-[1-(4-bromophenyl)ethyl]hydroxylamine
SMILESCC(ON)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrNO/c1-6(11-10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3
InChIKeyPCDWXUITARQEBC-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.40
Rot. Bonds2

About O-[1-(4-bromophenyl)ethyl]hydroxylamine

O-[1-(4-bromophenyl)ethyl]hydroxylamine (PubChem CID 82024183) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is O-[1-(4-bromophenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[1-(4-bromophenyl)ethyl]hydroxylamine
PubChem CID82024183
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC NameO-[1-(4-bromophenyl)ethyl]hydroxylamine
SMILESCC(ON)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrNO/c1-6(11-10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3
InChIKeyPCDWXUITARQEBC-UHFFFAOYSA-N
XLogP2.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-[(1S)-1-methoxyethyl]benzene
CID 51534481
O-[1-(4-methoxyphenyl)ethyl]hydroxylamine
CID 55269080
O-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 11805842
(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
CID 53484870
[(1R)-1-(4-bromophenyl)ethyl] acetate
CID 11770642
ethyl (3S)-3-(4-bromophenyl)butanoate
CID 90210718
1-bromo-4-(1-pentan-2-yloxyethyl)benzene
CID 123476131
(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine
CID 131011695
(2S)-2-(4-bromophenyl)propan-1-amine
CID 23566380
(4-bromophenyl)methanediamine
CID 68740698
(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol
CID 59069368
1-(4-bromophenyl)-1-fluoropropan-2-amine
CID 105490420

Frequently Asked Questions

What is the IUPAC name of O-[1-(4-bromophenyl)ethyl]hydroxylamine?
The IUPAC name of O-[1-(4-bromophenyl)ethyl]hydroxylamine (CID 82024183) is O-[1-(4-bromophenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[1-(4-bromophenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[1-(4-bromophenyl)ethyl]hydroxylamine is CC(ON)c1ccc(Br)cc1.
What is the InChIKey of O-[1-(4-bromophenyl)ethyl]hydroxylamine?
The InChIKey is PCDWXUITARQEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-6(11-10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3.
What are the key properties of O-[1-(4-bromophenyl)ethyl]hydroxylamine?
O-[1-(4-bromophenyl)ethyl]hydroxylamine has a molecular weight of 216.08 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[1-(4-bromophenyl)ethyl]hydroxylamine is sourced from PubChem (CID 82024183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).